Geometry & MOs

Info

ID:	2675
PubChem CID:	8240
Reduced:	BrNO4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	383.07322
ΔH_f, kcal/mol:	-141.22
Dipole, Da:	6.61
IP(EA), eV:	-9.65(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,4R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate;hydrobromide

Drug info:

PubChemData

Smile

CN1[C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)C4=CC=CC=C4.Br

DOS

IR

Vibrations